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Author: Gareth Lloyd Publisher: Royal Society of Chemistry ISBN: 1788019717 Category : Science Languages : en Pages : 491
Book Description
The chemistry that occurs within confined spaces is the product of a collection of forces, often beyond the molecule, and is not easily ascribed to singular factors. There is a breadth of material types that can define a confined space (e.g. macrocycles, interlocked molecules, porous and non-porous crystals, organic and inorganic/coordination cages) which are rarely discussed together. Studies of supramolecular entities in the solution and solid states are also not often compared in the same discussion, even though the concepts are often similar or can be easily transferred between the two. Chapters in this book combine classical host-guest chemistry with catalysis, reactivity, and modern supramolecular chemistry. They cover the many different technologies used to describe and understand reactivity in confined spaces in one accessible title. With contributions from leading experts, Reactivity in Confined Spaces will be relevant for graduate students and researchers working in supramolecular chemistry, both organic- and inorganic-based, homogeneous and heterogeneous catalysis, polymer chemistry, and materials science in general.
Author: Pratim Kumar Chattaraj Publisher: John Wiley & Sons ISBN: 1119683238 Category : Science Languages : en Pages : 451
Book Description
An insightful analysis of confined chemical systems for theoretical and experimental scientists Chemical Reactivity in Confined Systems: Theory and Applications presents a theoretical basis for the molecular phenomena observed in confined spaces. The book highlights state-of-the-art theoretical and computational approaches, with a focus on obtaining physically relevant clarification of the subject to enable the reader to build an appreciation of underlying chemical principles. The book includes real-world examples of confined systems that highlight how the reactivity of atoms and molecules change upon encapsulation. Chapters include discussions on recent developments related to several host-guest systems, including cucurbit[n]uril, ExBox+4, clathrate hydrates, octa acid cavitand, metal organic frameworks (MOFs), covalent organic frameworks (COFs), zeolites, fullerenes, and carbon nanotubes. Readers will learn how to carry out new calculations to understand the physicochemical behavior of confined quantum systems. Topics covered include: A thorough introduction to global reactivity descriptors, including electronegativity, hardness, and electrophilicity An exploration of the Fukui function, as well as dual descriptors, higher order derivatives, and reactivity through information theory A practical discussion of spin dependent reactivity and temperature dependent reactivity Concise treatments of population analysis, reaction force, electron localization functions, and the solvent effect on reactivity Perfect for academic researchers and graduate students in theoretical and computational chemistry and confined chemical systems, Chemical Reactivity in Confined Systems: Theory and Applications will also earn a place in the libraries of professionals working in the areas of catalysis, supramolecular chemistry, and porous materials.
Author: Pratim Kumar Chattaraj Publisher: John Wiley & Sons ISBN: 1119684021 Category : Science Languages : en Pages : 451
Book Description
An insightful analysis of confined chemical systems for theoretical and experimental scientists Chemical Reactivity in Confined Systems: Theory and Applications presents a theoretical basis for the molecular phenomena observed in confined spaces. The book highlights state-of-the-art theoretical and computational approaches, with a focus on obtaining physically relevant clarification of the subject to enable the reader to build an appreciation of underlying chemical principles. The book includes real-world examples of confined systems that highlight how the reactivity of atoms and molecules change upon encapsulation. Chapters include discussions on recent developments related to several host-guest systems, including cucurbit[n]uril, ExBox+4, clathrate hydrates, octa acid cavitand, metal organic frameworks (MOFs), covalent organic frameworks (COFs), zeolites, fullerenes, and carbon nanotubes. Readers will learn how to carry out new calculations to understand the physicochemical behavior of confined quantum systems. Topics covered include: A thorough introduction to global reactivity descriptors, including electronegativity, hardness, and electrophilicity An exploration of the Fukui function, as well as dual descriptors, higher order derivatives, and reactivity through information theory A practical discussion of spin dependent reactivity and temperature dependent reactivity Concise treatments of population analysis, reaction force, electron localization functions, and the solvent effect on reactivity Perfect for academic researchers and graduate students in theoretical and computational chemistry and confined chemical systems, Chemical Reactivity in Confined Systems: Theory and Applications will also earn a place in the libraries of professionals working in the areas of catalysis, supramolecular chemistry, and porous materials.
Author: C.Richard A. Catlow Publisher: Elsevier ISBN: 0128050586 Category : Technology & Engineering Languages : en Pages : 372
Book Description
Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. Authored and edited by experts in the field of micro- and meso-porous materials Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science
Author: Abderrazzak Douhal Publisher: Elsevier ISBN: 0128178140 Category : Science Languages : en Pages : 464
Book Description
Chemistry of Silica and Zeolite-Based Materials covers a wide range of topics related to silica-based materials from design and synthesis to applications in different fields of science and technology. Since silica is transparent and inert to the light, it is a very attractive host material for constructing artificial photosynthesis systems. As an earth-abundant oxide, silica is an ideal and basic material for application of various oxides, and the science and technology of silica-based materials are fundamentally important for understanding other oxide-based materials. The book examines nanosolvation and confined molecules in silica hosts, catalysis and photocatalysis, photonics, photosensors, photovoltaics, energy, environmental sciences, drug delivery, and health. Written by a highly experienced and internationally renowned team from around the world, Chemistry of Silica and Zeolite-Based Materials is ideal for chemists, materials scientists, chemical engineers, physicists, biologists, biomedical sciences, environmental scientists, toxicologists, and pharma scientists. --- "The enormous versatility of silica for building a large variety of materials with unique properties has been very well illustrated in this book.... The reader will be exposed to numerous potential applications of these materials – from photocatalytic, optical and electronic applications, to chemical reactivity in confined spaces and biological applications. This book is of clear interest not only to PhD students and postdocs, but also to researchers in this field seeking an understanding of the possible applications of meso and microporous silica-derived materials." - Professor Avelino Corma, Institute of Chemical Technology (ITQ-CSIC) and Polytechnical University of Valencia, Spain Discusses the most important advances in various fields using silica materials, including nanosolvation and confined molecules in silica hosts, catalysis and photocatalysis, and other topics Written by a global team of experts from a variety of science and technology disciplines Ideal resource for chemists, materials scientists, and chemical engineers working with oxide-based materials
Author: Pratim Kumar Chattaraj Publisher: CRC Press ISBN: 1420065440 Category : Science Languages : en Pages : 612
Book Description
In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe
Author: Robert Schlögl Publisher: Walter de Gruyter GmbH & Co KG ISBN: 3110608596 Category : Technology & Engineering Languages : en Pages : 685
Book Description
Energy – in the headlines, discussed controversially, vital. The use of regenerative energy in many primary forms leads to the necessity to store grid dimensions for maintaining continuous supply and enabling the replacement of fossil fuel systems. Chemical energy storage is one of the possibilities besides mechano-thermal and biological systems. This work starts with the more general aspects of chemical energy storage in the context of the geosphere and evolves to dealing with aspects of electrochemistry, catalysis, synthesis of catalysts, functional analysis of catalytic processes and with the interface between electrochemistry and heterogeneous catalysis. Top-notch experts provide a sound, practical, hands-on insight into the present status of energy conversion aimed primarily at the young emerging research front.
Author: Bert Sels Publisher: Elsevier ISBN: 0444635149 Category : Technology & Engineering Languages : en Pages : 475
Book Description
Zeolites and Zeolite-like Materials offers a comprehensive and up-to-date review of the important areas of zeolite synthesis, characterization, and applications. Its chapters are written in an educational, easy-to-understand format for a generation of young zeolite chemists, especially those who are just starting research on the topic and need a reference that not only reflects the current state of zeolite research, but also identifies gaps and opportunities. The book demonstrates various applications of zeolites in heterogeneous catalysis and biomass conversion and identifies the endless possibilities that exist for this class of materials, their structures, functions, and future applications. In addition, it demonstrates that zeolite-like materials should be regarded as a living body developing towards new modern applications, thereby responding to the needs of modern technology challenges, including biomass conversion, medicine, laser techniques, and nanomaterial design, etc. The book will be of interest not only to zeolite-focused researchers, but also to a broad scientific and non-scientific audience. Provides a comprehensive review of the literature pertaining to zeolites and zeolite-like materials since 2000 Covers the chemistry of novel zeolite-like materials such as Metal-Organic Frameworks (MOFs), Covalent Organic Frameworks (COFs), hierarchical zeolite materials, new mesoporous and composite zeolite-like micro/mesoporous materials Presents essential information of the new zeolite-like structures, with a balanced coverage of the most important areas of the zeolite research (synthesis, characterization, adsorption, catalysis, new applications of zeolites and zeolite-like materials) Contains chapters prepared by known specialists who are members of the International Zeolite Association
Author: D. Alan Veasey Publisher: John Wiley & Sons ISBN: 0471787655 Category : Technology & Engineering Languages : en Pages : 512
Book Description
EVERY SECOND COUNTS WHEN YOU'RE RESPONDING TO AN EMERGENCYINVOLVINGCONFINED SPACE-HERE'S THE DEFINITIVE GUIDE TO PERFORMINGFLAWLESS RESCUES! Confined Space Entry and Emergency Response utilizes a realistic,scenario-based approach to teach you-and your staff-the right wayto respond to an incident involving a confined space. The authorsprovide intensive, step-by-step guidance through the challengingmaze of training regulations, equipment needs, and procedures tokeep your response team finely tuned and ready to go under anyconditions. You'll find expert, detailed coverage of complex-and oftenconfusing-topics such as: * The basic components of rescue * OSHA's regulations for confined space entry and rescue * Confined space entry permitting * Assessing confined space hazards * Hazardous atmospheres and how to protect entrants from them * Air monitoring in confined spaces * Selection and use of personal protective equipment * The use of ropes and rigging The CD-ROM includes the Instructor's Guide along with lesson plansand useful practice tools such as worksheets, exercise handouts,performance checklists, diagrams and equipment lists for fieldexercises, instructions for building field training simulators, andguidelines for identifying rescue trainers and evaluating theircompetency as well as that of outside rescue teams. Everything you need to effectively train those working in aconfined space can truly be found within these pages and on theCD-ROM.